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Home > Boronic Acids > 151169-67-4
151169-67-4 | Boronic acid, B-(4-chloro-3-nitrophenyl)-
CAS No: 151169-67-4 Catalog No: AG001N57 MDL No:MFCD02258950
Product Description
Catalog Number:
AG001N57
Chemical Name:
Boronic acid, B-(4-chloro-3-nitrophenyl)-
CAS Number:
151169-67-4
Molecular Formula:
C6H5BClNO4
Molecular Weight:
201.3722
MDL Number:
MFCD02258950
IUPAC Name:
(4-chloro-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H5BClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
InChI Key:
LQCCRPUZTXKDGB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)[N+](=O)[O-])Cl)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.369g/mol
Monoisotopic Mass:
201g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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